4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide

C12H11NO4S — CID 23077804

IUPAC4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H11NO4S/c14-10-3-1-9(2-4-10)13-18(16,17)12-7-5-11(15)6-8-12/h1-8,13-15H
InChIKeyBCWUBVCTPGTFQT-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.90
Rot. Bonds3

About 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide

4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 23077804) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID23077804
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H11NO4S/c14-10-3-1-9(2-4-10)13-18(16,17)12-7-5-11(15)6-8-12/h1-8,13-15H
InChIKeyBCWUBVCTPGTFQT-UHFFFAOYSA-N
XLogP1.90
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide (CID 23077804) is 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is BCWUBVCTPGTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c14-10-3-1-9(2-4-10)13-18(16,17)12-7-5-11(15)6-8-12/h1-8,13-15H.
What are the key properties of 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide?
4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 265.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 23077804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).